LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# Point dipoles in a 2d box

units		lj
atom_style  charge

read_data data.NaCl
  orthogonal box = (0 0 0) to (1 1 1)
  1 by 2 by 2 MPI processor grid
  reading atoms ...
  8 atoms

replicate 8 8 8
  orthogonal box = (0 0 0) to (8 8 8)
  1 by 2 by 2 MPI processor grid
  4096 atoms
  Time spent = 0.00012064 secs

velocity	all create 1.5 49893

neighbor	1.0 bin
neigh_modify	delay 0

fix             1 all nve

# LAMMPS computes pairwise and long-range Coulombics

#pair_style      coul/long 3.0
#pair_coeff      * *
#kspace_style    pppm 1.0e-3

# Scafacos computes entire long-range Coulombics
# use dummy pair style to perform atom sorting

pair_style	zero 1.0
pair_coeff	* *

#fix		2 all scafacos p3m tolerance field 0.001

kspace_style    scafacos p3m 0.001
#kspace_style    scafacos tolerance field

timestep	0.005
thermo          10

run		100
Setting up ScaFaCoS with solver p3m ...
WARNING: Virial computation for P3M not available (src/SCAFACOS/scafacos.cpp:104)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2
  ghost atom cutoff = 2
  binsize = 1, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair zero, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.008 | 4.008 | 4.008 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0          1.5   -1.7475814            0   0.50186926     11.99707 
      10    1.5000019   -1.7475841            0   0.50186935    11.997085 
      20    1.4999837    -1.747556            0   0.50187017     11.99694 
      30    1.4999022   -1.7474323            0   0.50187181    11.996288 
      40    1.4997327   -1.7471824            0   0.50186744    11.994932 
      50    1.4995318   -1.7468908            0   0.50185778    11.993326 
      60     1.499542   -1.7469166            0    0.5018472    11.993407 
      70    1.5003608   -1.7481509            0   0.50184084    11.999956 
      80    1.5032406   -1.7524717            0    0.5018387    12.022989 
      90    1.5107432   -1.7637208            0    0.5018408    12.082995 
     100    1.5291549   -1.7913103            0   0.50186206    12.230252 
Loop time of 1.04979 on 4 procs for 100 steps with 4096 atoms

Performance: 41150.904 tau/day, 95.257 timesteps/s
96.5% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.00021386 | 0.00022691 | 0.00023532 |   0.0 |  0.02
Kspace  | 1.0351     | 1.0353     | 1.0354     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0092776  | 0.0094286  | 0.0095558  |   0.1 |  0.90
Output  | 0.00019121 | 0.00050998 | 0.0014408  |   0.0 |  0.05
Modify  | 0.0019102  | 0.0019451  | 0.0019991  |   0.1 |  0.19
Other   |            | 0.002431   |            |       |  0.23

Nlocal:    1024 ave 1024 max 1024 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:    5120 ave 5120 max 5120 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs:    131072 ave 131072 max 131072 min
Histogram: 4 0 0 0 0 0 0 0 0 0

Total # of neighbors = 524288
Ave neighs/atom = 128
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:01
